Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 2/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14670299 | 1.00 | HSD17B10 (0.48) | HSD17B10TSHRGAAKDM4EMEN1 | |
| SCHEMBL473587 | 0.87 | KDM4E (0.64) | HSD17B10TSHRGAAKDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL342591 | 0.83 | KDM4E (0.57) | HSD17B10TSHRGAAKDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL341448 | 0.83 | KDM4E (0.57) | HSD17B10TSHRGAAKDM4EMEN1 | |
| SCHEMBL342269 | 0.82 | KDM4E (0.41) | HSD17B10TSHRGAAKDM4EMEN1 | |
| SCHEMBL342930 | 0.82 | KDM4E (0.41) | HSD17B10TSHRGAAKDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL342230 | 0.81 | NAPEPLD (0.42) | HSD17B10GAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL341449 | 0.79 | KDM4E (0.45) | HSD17B10TSHRGAAKDM4EMEN1 | |
| SCHEMBL342592 | 0.79 | KDM4E (0.45) | HSD17B10TSHRGAAKDM4EMEN1 | |
| SCHEMBL3812064 | 0.78 | RET (0.60) | HSD17B10TSHRGAARETCCNE1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367690-B2 | Aminopyridine derivatives having aurora a selective inhibitory action | VERTEX PHARMACEUTICALS INC. (US) | 2013-02-05 | — | — | US | disclosed |